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Information card for entry 4308861
Preview
| Coordinates | 4308861.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 Hg N2 O2 S2 |
|---|---|
| Calculated formula | C16 H16 Hg N2 O2 S2 |
| SMILES | O=C(NC)c1c(S[Hg]Sc2ccccc2C(=O)NC)cccc1 |
| Title of publication | Relation between Intramolecular NH...S Hydrogen Bonds and Coordination Number in Mercury(II) Complexes with Carbamoylbenzenethiol Derivatives |
| Authors of publication | Masahiro Kato; Kazunori Kojima; Taka-aki Okamura; Hitoshi Yamamoto; Takeshi Yamamura; Norikazu Ueyama |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 4037 - 4044 |
| a | 21.993 ± 0.005 Å |
| b | 9.173 ± 0.005 Å |
| c | 8.95 ± 0.005 Å |
| α | 90° |
| β | 104.09 ± 0.03° |
| γ | 90° |
| Cell volume | 1751.3 ± 1.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0773 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1298 |
| Weighted residual factors for all reflections included in the refinement | 0.1431 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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